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endo-2-thiabicyclo[2.2.2]oct-5-ene-3-carboxylic Acid Benzyl Ester
SpectraBase Compound ID HA1bsYL7Rhx
InChI InChI=1S/C15H16O2S/c16-15(17-10-11-4-2-1-3-5-11)14-12-6-8-13(18-14)9-7-12/h1-6,8,12-14H,7,9-10H2
InChIKey NVJJDHRPLBEOID-UHFFFAOYSA-N
Mol Weight 260.35 g/mol
Molecular Formula C15H16O2S
Exact Mass 260.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsD7LPeplpG
Name endo-2-thiabicyclo[2.2.2]oct-5-ene-3-carboxylic Acid Benzyl Ester
CAS Registry Number 136912-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O2S
InChI InChI=1S/C15H16O2S/c16-15(17-10-11-4-2-1-3-5-11)14-12-6-8-13(18-14)9-7-12/h1-6,8,12-14H,7,9-10H2
InChIKey NVJJDHRPLBEOID-UHFFFAOYSA-N
Molecular Weight 260.351 g/mol
SMILES C1(SC2C=CC1CC2)C(OCc1ccccc1)=O
SPLASH splash10-002g-9100000000-4be7ee9d5526c6228f79
Source of Spectrum J-56-7327-21
Synonyms benzyl 2-thiabicyclo[2.2.2]oct-5-ene-3-carboxylate
Wiley ID 1263731